4,6-bis(furan-2-yl)-3,5-diphenyl-2-pyridin-3-yl-2,3-dihydropyridine

C30H22N2O2 — CID 101116198

IUPAC4,6-bis(furan-2-yl)-3,5-diphenyl-2-pyridin-3-yl-2,3-dihydropyridine
SMILESc1ccc(C2=C(c3ccco3)C(c3ccccc3)C(c3cccnc3)N=C2c2ccco2)cc1
InChIInChI=1S/C30H22N2O2/c1-3-10-21(11-4-1)26-28(24-15-8-18-33-24)27(22-12-5-2-6-13-22)30(25-16-9-19-34-25)32-29(26)23-14-7-17-31-20-23/h1-20,26,29H
InChIKeyMOKHRXSBJJTENE-UHFFFAOYSA-N
MW442.52 g/mol
LogP7.21
Rot. Bonds5

About 4,6-bis(furan-2-yl)-3,5-diphenyl-2-pyridin-3-yl-2,3-dihydropyridine

4,6-bis(furan-2-yl)-3,5-diphenyl-2-pyridin-3-yl-2,3-dihydropyridine (PubChem CID 101116198) has the molecular formula C30H22N2O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4,6-bis(furan-2-yl)-3,5-diphenyl-2-pyridin-3-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name4,6-bis(furan-2-yl)-3,5-diphenyl-2-pyridin-3-yl-2,3-dihydropyridine
PubChem CID101116198
Molecular FormulaC30H22N2O2
Molecular Weight442.52 g/mol
Exact Mass442.17
IUPAC Name4,6-bis(furan-2-yl)-3,5-diphenyl-2-pyridin-3-yl-2,3-dihydropyridine
SMILESc1ccc(C2=C(c3ccco3)C(c3ccccc3)C(c3cccnc3)N=C2c2ccco2)cc1
InChIInChI=1S/C30H22N2O2/c1-3-10-21(11-4-1)26-28(24-15-8-18-33-24)27(22-12-5-2-6-13-22)30(25-16-9-19-34-25)32-29(26)23-14-7-17-31-20-23/h1-20,26,29H
InChIKeyMOKHRXSBJJTENE-UHFFFAOYSA-N
XLogP7.21
TPSA51.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(furan-2-yl)-3,5-diphenyl-2-pyridin-3-yl-2,3-dihydropyridine?
The IUPAC name of 4,6-bis(furan-2-yl)-3,5-diphenyl-2-pyridin-3-yl-2,3-dihydropyridine (CID 101116198) is 4,6-bis(furan-2-yl)-3,5-diphenyl-2-pyridin-3-yl-2,3-dihydropyridine.
What is the SMILES notation for 4,6-bis(furan-2-yl)-3,5-diphenyl-2-pyridin-3-yl-2,3-dihydropyridine?
The canonical SMILES for 4,6-bis(furan-2-yl)-3,5-diphenyl-2-pyridin-3-yl-2,3-dihydropyridine is c1ccc(C2=C(c3ccco3)C(c3ccccc3)C(c3cccnc3)N=C2c2ccco2)cc1.
What is the InChIKey of 4,6-bis(furan-2-yl)-3,5-diphenyl-2-pyridin-3-yl-2,3-dihydropyridine?
The InChIKey is MOKHRXSBJJTENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O2/c1-3-10-21(11-4-1)26-28(24-15-8-18-33-24)27(22-12-5-2-6-13-22)30(25-16-9-19-34-25)32-29(26)23-14-7-17-31-20-23/h1-20,26,29H.
What are the key properties of 4,6-bis(furan-2-yl)-3,5-diphenyl-2-pyridin-3-yl-2,3-dihydropyridine?
4,6-bis(furan-2-yl)-3,5-diphenyl-2-pyridin-3-yl-2,3-dihydropyridine has a molecular weight of 442.52 g/mol, XLogP of 7.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(furan-2-yl)-3,5-diphenyl-2-pyridin-3-yl-2,3-dihydropyridine is sourced from PubChem (CID 101116198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).